N-[[3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine

C12H18N4S — CID 112644560

IUPACN-[[3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1nn(Cc2cncs2)cc1CNC(C)C
InChIInChI=1S/C12H18N4S/c1-9(2)14-4-11-6-16(15-10(11)3)7-12-5-13-8-17-12/h5-6,8-9,14H,4,7H2,1-3H3
InChIKeyGUDQDZPGILGECW-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.19
Rot. Bonds5

About N-[[3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine

N-[[3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 112644560) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[[3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine
PubChem CID112644560
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-[[3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1nn(Cc2cncs2)cc1CNC(C)C
InChIInChI=1S/C12H18N4S/c1-9(2)14-4-11-6-16(15-10(11)3)7-12-5-13-8-17-12/h5-6,8-9,14H,4,7H2,1-3H3
InChIKeyGUDQDZPGILGECW-UHFFFAOYSA-N
XLogP2.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]ethanamine
CID 112644558
N-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 82871571
N-[[3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine
CID 106458322
N-[[3,5-dichloro-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-2-amine
CID 115978897
2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine
CID 103391134
(2S)-2-(1,3-thiazol-5-ylmethylamino)propan-1-ol
CID 94578466
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)triazol-4-yl]methyl]propan-2-amine
CID 112645383
1-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-2-amine
CID 104585466
5-methyl-N-(1,3-thiazol-5-ylmethyl)hexan-2-amine
CID 62759038
3-ethyl-N-(1,3-thiazol-5-ylmethyl)pentan-2-amine
CID 63843497
1-(4-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62760386
1-(3,5-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732390

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine (CID 112644560) is N-[[3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine is Cc1nn(Cc2cncs2)cc1CNC(C)C.
What is the InChIKey of N-[[3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is GUDQDZPGILGECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-9(2)14-4-11-6-16(15-10(11)3)7-12-5-13-8-17-12/h5-6,8-9,14H,4,7H2,1-3H3.
What are the key properties of N-[[3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine?
N-[[3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 250.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 112644560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).